Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2978386

CCN(c1cccc2cc(-c3ncc(CN4CCC(C(N)=O)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
OGA O60502 4/20 0.32
ATM Q13315 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FAAH O00519 1/20 0.31
ACKR3 P25106 1/20 0.31
MAPT P10636 2/20 0.30
RECQL P46063 1/20 0.30
TP53 P04637 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13203383 0.95 OGA (0.34) OGAALDH1A1SMN1; SMN2FAAHACKR3
Trifluoroacetic Acid SCHEMBL2978088 0.93 NPC1 (0.33) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2977941 0.93 NPC1 (0.36) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2661161 0.93 GCK (0.31) F2F10PRSS1OGAACKR3
Trifluoroacetic Acid SCHEMBL2968757 0.92 NPC1 (0.33) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2972773 0.92 ALDH1A1 (0.40) ATMALDH1A1SMN1; SMN2MAPTTP53
Trifluoroacetic Acid SCHEMBL2963156 0.92 NPC1 (0.35) NPC1RAB9AF2F10PRSS1
Trifluoroacetic Acid SCHEMBL2977701 0.92 LMNA (0.31) F2F10PRSS1OGASMN1; SMN2
Trifluoroacetic Acid SCHEMBL2660744 0.92 OGA (0.31) F2F10PRSS1OGA
Trifluoroacetic Acid SCHEMBL2661305 0.92 SLC2A1 (0.32) F2F10PRSS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 NPC1 2480/4885RAB9A 3121/4885F2 3253/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 NPC1 2480/4885RAB9A 3121/4885F2 3253/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 NPC1 2480/4885RAB9A 3121/4885F2 3253/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.